N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide

C14H13N5O4S — CID 42284888

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2c[nH]c(=O)[nH]c2=O)c(-c2ccccc2)n1
InChIInChI=1S/C14H13N5O4S/c1-19-8-11(12(17-19)9-5-3-2-4-6-9)24(22,23)18-10-7-15-14(21)16-13(10)20/h2-8,18H,1H3,(H2,15,16,20,21)
InChIKeyCVPHNSGJSUGZRN-UHFFFAOYSA-N
MW347.36 g/mol
LogP0.26
Rot. Bonds4

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide (PubChem CID 42284888) has the molecular formula C14H13N5O4S and a molecular weight of 347.36 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide
PubChem CID42284888
Molecular FormulaC14H13N5O4S
Molecular Weight347.36 g/mol
Exact Mass347.07
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2c[nH]c(=O)[nH]c2=O)c(-c2ccccc2)n1
InChIInChI=1S/C14H13N5O4S/c1-19-8-11(12(17-19)9-5-3-2-4-6-9)24(22,23)18-10-7-15-14(21)16-13(10)20/h2-8,18H,1H3,(H2,15,16,20,21)
InChIKeyCVPHNSGJSUGZRN-UHFFFAOYSA-N
XLogP0.26
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285100
N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345556
N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284845
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282564
1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284861
1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284864
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345419
N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42349444
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 16677699
4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 167810356

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide (CID 42284888) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2c[nH]c(=O)[nH]c2=O)c(-c2ccccc2)n1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
The InChIKey is CVPHNSGJSUGZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4S/c1-19-8-11(12(17-19)9-5-3-2-4-6-9)24(22,23)18-10-7-15-14(21)16-13(10)20/h2-8,18H,1H3,(H2,15,16,20,21).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide has a molecular weight of 347.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).